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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /9e-pcbu3/9e-pcbu3-00-lpdoh2 9e-pcbu3-00-lpdoh2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2178.72618156; Eh | |||
 | 6-Aug-2024 | /2c-pph3/2c-pph3-03-c1 2c-pph3-03-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1874.92178990; Eh | |||
 | 6-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-84-lig 3n-tbuxphos-84-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1471.03428122; Eh | |||
 | 7-Aug-2024 | /3i-xphos/3i-xphos-22-c5 3i-xphos-22-c5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2542.17660868; Eh | |||
 | 6-Aug-2024 | /2d-potol3/2d-potol3-02-ts-rxt-c1 2d-potol3-02-ts-rxt-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1990.47659207; Eh | |||
 | 6-Aug-2024 | /3l-tbumephos/3l-tbumephos-15-t2 3l-tbumephos-15-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1995.22889427; Eh | |||
 | 6-Aug-2024 | /3b-phjohnphos/3b-phjohnphos-12-ts-rxt-t1 3b-phjohnphos-12-ts-rxt-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2105.53185749; Eh | |||
 | 7-Aug-2024 | /3r-adbrettphos/3r-adbrettphos-14-ts-t1-t2 3r-adbrettphos-14-ts-t1-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3003.56637939; Eh | |||
 | 6-Aug-2024 | /3e-cymephos/3e-cymephos-07-ts-c2-c3 3e-cymephos-07-ts-c2-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2228.32706408; Eh | |||
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-24-t5 3a-iprjohnphos-24-t5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1956.02180381; Eh |
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